Pandas Profiling Report

Dataset statistics

Number of variables	25
Number of observations	52792
Missing cells	0
Missing cells (%)	0.0%
Duplicate rows	0
Duplicate rows (%)	0.0%
Total size in memory	35.8 MiB
Average record size in memory	711.9 B

Variable types

Numeric	16
Categorical	9

Alerts

`surface_composition` has a high cardinality: 1088 distinct values	High cardinality
`ads_IE_1` is highly correlated with `coverages` and 9 other fields	High correlation
`ads_S_1` is highly correlated with `coverages` and 8 other fields	High correlation
`ads_IE_2` is highly correlated with `coverages` and 12 other fields	High correlation
`ads_H_2` is highly correlated with `coverages` and 15 other fields	High correlation
`ads_S_2` is highly correlated with `coverages` and 15 other fields	High correlation
`ads_IE_3` is highly correlated with `coverages` and 10 other fields	High correlation
`ads_H_3` is highly correlated with `coverages` and 11 other fields	High correlation
`ads_S_3` is highly correlated with `coverages` and 13 other fields	High correlation
`equation` is highly correlated with `coverages` and 15 other fields	High correlation
`ads_1` is highly correlated with `coverages` and 10 other fields	High correlation
`ads_3` is highly correlated with `coverages` and 10 other fields	High correlation
`coverages` is highly correlated with `equation` and 15 other fields	High correlation
`ads_2` is highly correlated with `coverages` and 15 other fields	High correlation
`site_1` is highly correlated with `coverages` and 14 other fields	High correlation
`site_2` is highly correlated with `coverages` and 13 other fields	High correlation
`site_3` is highly correlated with `coverages` and 11 other fields	High correlation
`efermi` is highly correlated with `site_1` and 2 other fields	High correlation
`formation_energy_per_atom` is highly correlated with `efermi` and 1 other fields	High correlation
`volume` is highly correlated with `efermi` and 1 other fields	High correlation
`ads_H_1` is highly correlated with `coverages` and 12 other fields	High correlation
`df_index` has unique values	Unique
`band_gap` has 52455 (99.4%) zeros	Zeros
`formation_energy_per_atom` has 1824 (3.5%) zeros	Zeros
`ads_IE_2` has 27394 (51.9%) zeros	Zeros
`ads_H_2` has 27394 (51.9%) zeros	Zeros
`ads_S_2` has 27394 (51.9%) zeros	Zeros
`ads_IE_3` has 42593 (80.7%) zeros	Zeros
`ads_H_3` has 42593 (80.7%) zeros	Zeros
`ads_S_3` has 42593 (80.7%) zeros	Zeros

Reproduction

Analysis started	2022-10-11 17:48:24.946937
Analysis finished	2022-10-11 17:49:22.264938
Duration	57.32 seconds
Software version	pandas-profiling v3.3.0
Download configuration	config.json

df_index
Real number (ℝ_≥0)

UNIQUE

Distinct	52792
Distinct (%)	100.0%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	44167.81077

Minimum	0
Maximum	88586
Zeros	1
Zeros (%)	< 0.1%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	3708.55
Q1	22110.75
median	44317.5
Q3	66917.25
95-th percentile	84224.45
Maximum	88586
Range	88586
Interquartile range (IQR)	44806.5

Descriptive statistics

Standard deviation	25685.26766
Coefficient of variation (CV)	0.5815381659
Kurtosis	-1.199111668
Mean	44167.81077
Median Absolute Deviation (MAD)	22369
Skewness	-0.004307604397
Sum	2331707066
Variance	659732975
Monotonicity	Strictly increasing

Histogram with fixed size bins (bins=50)

Value	Count	Frequency (%)
0	1	< 0.1%
58980	1	< 0.1%
58970	1	< 0.1%
58971	1	< 0.1%
58972	1	< 0.1%
58973	1	< 0.1%
58974	1	< 0.1%
58975	1	< 0.1%
58976	1	< 0.1%
58977	1	< 0.1%
Other values (52782)	52782	> 99.9%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	1	< 0.1%
1	1	< 0.1%
2	1	< 0.1%
3	1	< 0.1%
4	1	< 0.1%
5	1	< 0.1%
6	1	< 0.1%
7	1	< 0.1%
8	1	< 0.1%
9	1	< 0.1%

Value	Count	Frequency (%)
88586	1	< 0.1%
88585	1	< 0.1%
88579	1	< 0.1%
88578	1	< 0.1%
88577	1	< 0.1%
88576	1	< 0.1%
88575	1	< 0.1%
88574	1	< 0.1%
88569	1	< 0.1%
88568	1	< 0.1%

surface_composition
Categorical

HIGH CARDINALITY

Distinct	1088
Distinct (%)	2.1%
Missing	0
Missing (%)	0.0%
Memory size	3.1 MiB

Pt3Ir	112
Au3Cu	111
Au3Pd	108
Ag3Pd	108
Ir3Rh	107
Other values (1083)	52246

Length

Max length	5
Median length	5
Mean length	4.460031823
Min length	1

Characters and Unicode

Total characters	235454
Distinct characters	36
Distinct categories	3 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	2 ?
Unique (%)	< 0.1%

Sample

1st row	Ag
2nd row	Ag
3rd row	Ag
4th row	Ag
5th row	Ag

Common Values

Value	Count	Frequency (%)
Pt3Ir	112	0.2%
Au3Cu	111	0.2%
Au3Pd	108	0.2%
Ag3Pd	108	0.2%
Ir3Rh	107	0.2%
Ag3Cu	107	0.2%
Rh3Os	106	0.2%
Pd3Cu	105	0.2%
Pt3Rh	104	0.2%
OsRu	104	0.2%
Other values (1078)	51720	98.0%

Length

Histogram of lengths of the category

Value	Count	Frequency (%)
pt3ir	112	0.2%
au3cu	111	0.2%
au3pd	108	0.2%
ag3pd	108	0.2%
ir3rh	107	0.2%
ag3cu	107	0.2%
rh3os	106	0.2%
pd3cu	105	0.2%
pd3au	104	0.2%
pt3rh	104	0.2%
Other values (1078)	51720	98.0%

Most occurring characters

Value	Count	Frequency (%)
3	33917	14.4%
P	12196	5.2%
A	11637	4.9%
u	11010	4.7%
C	10519	4.5%
n	10511	4.5%
R	10195	4.3%
r	9038	3.8%
T	8471	3.6%
a	8117	3.4%
Other values (26)	109843	46.7%

Most occurring categories

Value	Count	Frequency (%)
Uppercase Letter	103760	44.1%
Lowercase Letter	97777	41.5%
Decimal Number	33917	14.4%

Most frequent character per category

Uppercase Letter

Value	Count	Frequency (%)
P	12196	11.8%
A	11637	11.2%
C	10519	10.1%
R	10195	9.8%
T	8471	8.2%
I	7058	6.8%
S	6312	6.1%
Z	6007	5.8%
N	5503	5.3%
H	4114	4.0%
Other values (9)	21748	21.0%

Lowercase Letter

Value	Count	Frequency (%)
u	11010	11.3%
n	10511	10.7%
r	9038	9.2%
a	8117	8.3%
i	7441	7.6%
d	7240	7.4%
l	5770	5.9%
g	5517	5.6%
t	5163	5.3%
e	4848	5.0%
Other values (6)	23122	23.6%

Decimal Number

Value	Count	Frequency (%)
3	33917	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Latin	201537	85.6%
Common	33917	14.4%

Most frequent character per script

Latin

Value	Count	Frequency (%)
P	12196	6.1%
A	11637	5.8%
u	11010	5.5%
C	10519	5.2%
n	10511	5.2%
R	10195	5.1%
r	9038	4.5%
T	8471	4.2%
a	8117	4.0%
i	7441	3.7%
Other values (25)	102402	50.8%

Common

Value	Count	Frequency (%)
3	33917	100.0%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	235454	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
3	33917	14.4%
P	12196	5.2%
A	11637	4.9%
u	11010	4.7%
C	10519	4.5%
n	10511	4.5%
R	10195	4.3%
r	9038	3.8%
T	8471	3.6%
a	8117	3.4%
Other values (26)	109843	46.7%

coverages
Categorical

HIGH CORRELATION

Distinct	31
Distinct (%)	0.1%
Missing	0
Missing (%)	0.0%
Memory size	3.8 MiB

{'H': 0.25}	5274
{'C': 0.25, 'H': 0.25, 'O': 0.25}	4485
{'N': 0.25}	4306
{'O': 0.25}	4270
{'C': 0.25, 'H': 0.25}	3760
Other values (26)	30697

Length

Max length	37
Median length	36
Mean length	18.64303304
Min length	11

Characters and Unicode

Total characters	984203
Distinct characters	16
Distinct categories	6 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	0 ?
Unique (%)	0.0%

Sample

1st row	{'CH2': 0.25}
2nd row	{'CH2': 0.25}
3rd row	{'CH2': 0.25}
4th row	{'CH3': 0.25}
5th row	{'CH3': 0.25}

Common Values

Value	Count	Frequency (%)
{'H': 0.25}	5274	10.0%
{'C': 0.25, 'H': 0.25, 'O': 0.25}	4485	8.5%
{'N': 0.25}	4306	8.2%
{'O': 0.25}	4270	8.1%
{'C': 0.25, 'H': 0.25}	3760	7.1%
{'S': 0.25}	3465	6.6%
{'C': 0.25}	3098	5.9%
{'N': 0.25, 'O': 0.25}	2829	5.4%
{'H': 0.25, 'N': 0.25}	1994	3.8%
{'H': 0.25, 'O': 0.25}	1930	3.7%
Other values (21)	17381	32.9%

Length

Histogram of lengths of the category

Value	Count	Frequency (%)
0.25	88389	50.0%
h	24159	13.7%
o	18190	10.3%
c	17034	9.6%
s	10297	5.8%
n	10265	5.8%
ch	1442	0.8%
sh	1437	0.8%
ch2	1390	0.8%
nh	1284	0.7%
Other values (3)	2891	1.6%

Most occurring characters

Value	Count	Frequency (%)
'	176778	18.0%
	123986	12.6%
2	90822	9.2%
:	88389	9.0%
0	88389	9.0%
.	88389	9.0%
5	88389	9.0%
{	52792	5.4%
}	52792	5.4%
,	35597	3.6%
Other values (6)	97880	9.9%

Most occurring categories

Value	Count	Frequency (%)
Other Punctuation	389153	39.5%
Decimal Number	268647	27.3%
Space Separator	123986	12.6%
Uppercase Letter	96833	9.8%
Open Punctuation	52792	5.4%
Close Punctuation	52792	5.4%

Most frequent character per category

Uppercase Letter

Value	Count	Frequency (%)
H	32603	33.7%
C	20913	21.6%
O	20034	20.7%
S	11734	12.1%
N	11549	11.9%

Other Punctuation

Value	Count	Frequency (%)
'	176778	45.4%
:	88389	22.7%
.	88389	22.7%
,	35597	9.1%

Decimal Number

Value	Count	Frequency (%)
2	90822	33.8%
0	88389	32.9%
5	88389	32.9%
3	1047	0.4%

Space Separator

Value	Count	Frequency (%)
	123986	100.0%

Open Punctuation

Value	Count	Frequency (%)
{	52792	100.0%

Close Punctuation

Value	Count	Frequency (%)
}	52792	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Common	887370	90.2%
Latin	96833	9.8%

Most frequent character per script

Common

Value	Count	Frequency (%)
'	176778	19.9%
	123986	14.0%
2	90822	10.2%
:	88389	10.0%
0	88389	10.0%
.	88389	10.0%
5	88389	10.0%
{	52792	5.9%
}	52792	5.9%
,	35597	4.0%

Latin

Value	Count	Frequency (%)
H	32603	33.7%
C	20913	21.6%
O	20034	20.7%
S	11734	12.1%
N	11549	11.9%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	984203	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
'	176778	18.0%
	123986	12.6%
2	90822	9.2%
:	88389	9.0%
0	88389	9.0%
.	88389	9.0%
5	88389	9.0%
{	52792	5.4%
}	52792	5.4%
,	35597	3.6%
Other values (6)	97880	9.9%

equation
Categorical

HIGH CORRELATION

Distinct	48
Distinct (%)	0.1%
Missing	0
Missing (%)	0.0%
Memory size	4.1 MiB

0.5H2(g) + * -> H*	4243
H2S(g) -H2(g) + * -> S*	3465
0.5N2(g) + * -> N*	3298
H2O(g) -H2(g) + * -> O*	3297
CH4(g)-2.0H2(g) + * -> C*	3098
Other values (43)	35391

Length

Max length	34
Median length	31
Mean length	23.89490832
Min length	17

Characters and Unicode

Total characters	1261460
Distinct characters	24
Distinct categories	9 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	0 ?
Unique (%)	0.0%

Sample

1st row	CH4(g) -H2(g) + * -> CH2*
2nd row	CH4(g) -H2(g) + * -> CH2*
3rd row	CH4(g) -H2(g) + * -> CH2*
4th row	CH4(g)-0.5H2(g) + * -> CH3*
5th row	CH4(g)-0.5H2(g) + * -> CH3*

Common Values

Value	Count	Frequency (%)
0.5H2(g) + * -> H*	4243	8.0%
H2S(g) -H2(g) + * -> S*	3465	6.6%
0.5N2(g) + * -> N*	3298	6.2%
H2O(g) -H2(g) + * -> O*	3297	6.2%
CH4(g)-2.0H2(g) + * -> C*	3098	5.9%
H2S(g)-0.5H2(g) + * -> SH*	1223	2.3%
0.5H2(g) + 0.5N2(g) + * -> NH*	1066	2.0%
CH4(g)-1.5H2(g) + * -> CH*	1035	2.0%
H2(g) + 2* -> 2H*	1031	2.0%
H2O(g) + * -> H2O*	1025	1.9%
Other values (38)	30011	56.8%

Length

Histogram of lengths of the category

Value	Count	Frequency (%)
	166629	48.6%
c	10604	3.1%
o	9762	2.8%
s	9371	2.7%
h2(g	8800	2.6%
2h	8693	2.5%
3	8551	2.5%
n	8314	2.4%
2o	6532	1.9%
2c	6430	1.9%
Other values (57)	99245	28.9%

Most occurring characters

Value	Count	Frequency (%)
	290139	23.0%
*	141181	11.2%
H	97310	7.7%
2	89160	7.1%
+	88393	7.0%
(	67546	5.4%
g	67546	5.4%
)	67546	5.4%
-	67542	5.4%
>	52792	4.2%
Other values (14)	232305	18.4%

Most occurring categories

Value	Count	Frequency (%)
Space Separator	290139	23.0%
Uppercase Letter	230930	18.3%
Decimal Number	171191	13.6%
Other Punctuation	157835	12.5%
Math Symbol	141185	11.2%
Open Punctuation	67546	5.4%
Lowercase Letter	67546	5.4%
Close Punctuation	67546	5.4%
Dash Punctuation	67542	5.4%

Most frequent character per category

Decimal Number

Value	Count	Frequency (%)
2	89160	52.1%
3	20794	12.1%
4	17232	10.1%
0	15619	9.1%
5	15393	9.0%
6	6460	3.8%
7	1845	1.1%
8	1837	1.1%
9	1816	1.1%
1	1035	0.6%

Uppercase Letter

Value	Count	Frequency (%)
H	97310	42.1%
C	46136	20.0%
O	41782	18.1%
S	23040	10.0%
N	22662	9.8%

Other Punctuation

Value	Count	Frequency (%)
*	141181	89.4%
.	16654	10.6%

Math Symbol

Value	Count	Frequency (%)
+	88393	62.6%
>	52792	37.4%

Space Separator

Value	Count	Frequency (%)
	290139	100.0%

Open Punctuation

Value	Count	Frequency (%)
(	67546	100.0%

Lowercase Letter

Value	Count	Frequency (%)
g	67546	100.0%

Close Punctuation

Value	Count	Frequency (%)
)	67546	100.0%

Dash Punctuation

Value	Count	Frequency (%)
-	67542	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Common	962984	76.3%
Latin	298476	23.7%

Most frequent character per script

Common

Value	Count	Frequency (%)
	290139	30.1%
*	141181	14.7%
2	89160	9.3%
+	88393	9.2%
(	67546	7.0%
)	67546	7.0%
-	67542	7.0%
>	52792	5.5%
3	20794	2.2%
4	17232	1.8%
Other values (8)	60659	6.3%

Latin

Value	Count	Frequency (%)
H	97310	32.6%
g	67546	22.6%
C	46136	15.5%
O	41782	14.0%
S	23040	7.7%
N	22662	7.6%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	1261460	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
	290139	23.0%
*	141181	11.2%
H	97310	7.7%
2	89160	7.1%
+	88393	7.0%
(	67546	5.4%
g	67546	5.4%
)	67546	5.4%
-	67542	5.4%
>	52792	4.2%
Other values (14)	232305	18.4%

ads_1
Categorical

HIGH CORRELATION

Distinct	12
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Memory size	2.9 MiB

C	17034
H	12951
N	7135
O	5226
S	3465
Other values (7)	6981

Length

Max length	3
Median length	1
Mean length	1.187092741
Min length	1

Characters and Unicode

Total characters	62669
Distinct characters	7
Distinct categories	2 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	0 ?
Unique (%)	0.0%

Sample

1st row	CH2
2nd row	CH2
3rd row	CH2
4th row	CH3
5th row	CH3

Common Values

Value	Count	Frequency (%)
C	17034	32.3%
H	12951	24.5%
N	7135	13.5%
O	5226	9.9%
S	3465	6.6%
SH	1223	2.3%
NH	1066	2.0%
CH	1035	2.0%
H2O	1025	1.9%
CH2	1007	1.9%
Other values (2)	1625	3.1%

Length

Histogram of lengths of the category

Value	Count	Frequency (%)
c	17034	32.3%
h	12951	24.5%
n	7135	13.5%
o	5226	9.9%
s	3465	6.6%
sh	1223	2.3%
nh	1066	2.0%
ch	1035	2.0%
h2o	1025	1.9%
ch2	1007	1.9%
Other values (2)	1625	3.1%

Most occurring characters

Value	Count	Frequency (%)
C	19940	31.8%
H	19932	31.8%
N	8201	13.1%
O	7012	11.2%
S	4688	7.5%
2	2032	3.2%
3	864	1.4%

Most occurring categories

Value	Count	Frequency (%)
Uppercase Letter	59773	95.4%
Decimal Number	2896	4.6%

Most frequent character per category

Uppercase Letter

Value	Count	Frequency (%)
C	19940	33.4%
H	19932	33.3%
N	8201	13.7%
O	7012	11.7%
S	4688	7.8%

Decimal Number

Value	Count	Frequency (%)
2	2032	70.2%
3	864	29.8%

Most occurring scripts

Value	Count	Frequency (%)
Latin	59773	95.4%
Common	2896	4.6%

Most frequent character per script

Latin

Value	Count	Frequency (%)
C	19940	33.4%
H	19932	33.3%
N	8201	13.7%
O	7012	11.7%
S	4688	7.8%

Common

Value	Count	Frequency (%)
2	2032	70.2%
3	864	29.8%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	62669	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
C	19940	31.8%
H	19932	31.8%
N	8201	13.1%
O	7012	11.2%
S	4688	7.5%
2	2032	3.2%
3	864	1.4%

site_1
Categorical

HIGH CORRELATION

Distinct	46
Distinct (%)	0.1%
Missing	0
Missing (%)	0.0%
Memory size	3.4 MiB

hollow,	19544
hollow\|A_A_A\|HCP	3415
hollow\|A_A_A\|FCC	3267
bridge,	3138
hollow\|A_A_B\|HCP	3015
Other values (41)	20413

Length

Max length	21
Median length	18
Mean length	9.882917866
Min length	3

Characters and Unicode

Total characters	521739
Distinct characters	24
Distinct categories	7 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	1 ?
Unique (%)	< 0.1%

Sample

1st row	bridge\|A_A\|A
2nd row	hollow\|A_A_A\|FCC
3rd row	top\|A
4th row	bridge\|A_A\|A
5th row	hollow\|A_A_A\|FCC

Common Values

Value	Count	Frequency (%)
hollow,	19544	37.0%
hollow\|A_A_A\|HCP	3415	6.5%
hollow\|A_A_A\|FCC	3267	6.2%
bridge,	3138	5.9%
hollow\|A_A_B\|HCP	3015	5.7%
hollow\|A_A_B\|FCC	3009	5.7%
top\|B	2812	5.3%
hollow	2298	4.4%
top\|A	1578	3.0%
top,	1345	2.5%
Other values (36)	9371	17.8%

Length

Histogram of lengths of the category

Value	Count	Frequency (%)
hollow	21842	41.4%
bridge	3489	6.6%
hollow\|a_a_a\|hcp	3415	6.5%
hollow\|a_a_a\|fcc	3267	6.2%
hollow\|a_a_b\|hcp	3015	5.7%
hollow\|a_a_b\|fcc	3009	5.7%
top\|b	2812	5.3%
top\|a	1578	3.0%
top	1578	3.0%
bridge\|a_a\|b	1274	2.4%
Other values (29)	7513	14.2%

Most occurring characters

Value	Count	Frequency (%)
o	83547	16.0%
l	78959	15.1%
A	44778	8.6%
\|	43770	8.4%
h	38059	7.3%
w	38059	7.3%
_	35821	6.9%
,	25398	4.9%
C	23524	4.5%
B	19166	3.7%
Other values (14)	90658	17.4%

Most occurring categories

Value	Count	Frequency (%)
Lowercase Letter	303024	58.1%
Uppercase Letter	110885	21.3%
Math Symbol	43770	8.4%
Connector Punctuation	35821	6.9%
Other Punctuation	25398	4.9%
Dash Punctuation	1906	0.4%
Decimal Number	935	0.2%

Most frequent character per category

Lowercase Letter

Value	Count	Frequency (%)
o	83547	27.6%
l	78959	26.1%
h	38059	12.6%
w	38059	12.6%
t	10306	3.4%
i	9210	3.0%
d	8239	2.7%
e	7304	2.4%
b	7304	2.4%
g	7304	2.4%
Other values (3)	14733	4.9%

Uppercase Letter

Value	Count	Frequency (%)
A	44778	40.4%
C	23524	21.2%
B	19166	17.3%
F	7877	7.1%
P	7770	7.0%
H	7770	7.0%

Math Symbol

Value	Count	Frequency (%)
\|	43770	100.0%

Connector Punctuation

Value	Count	Frequency (%)
_	35821	100.0%

Other Punctuation

Value	Count	Frequency (%)
,	25398	100.0%

Dash Punctuation

Value	Count	Frequency (%)
-	1906	100.0%

Decimal Number

Value	Count	Frequency (%)
4	935	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Latin	413909	79.3%
Common	107830	20.7%

Most frequent character per script

Latin

Value	Count	Frequency (%)
o	83547	20.2%
l	78959	19.1%
A	44778	10.8%
h	38059	9.2%
w	38059	9.2%
C	23524	5.7%
B	19166	4.6%
t	10306	2.5%
i	9210	2.2%
d	8239	2.0%
Other values (9)	60062	14.5%

Common

Value	Count	Frequency (%)
\|	43770	40.6%
_	35821	33.2%
,	25398	23.6%
-	1906	1.8%
4	935	0.9%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	521739	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
o	83547	16.0%
l	78959	15.1%
A	44778	8.6%
\|	43770	8.4%
h	38059	7.3%
w	38059	7.3%
_	35821	6.9%
,	25398	4.9%
C	23524	4.5%
B	19166	3.7%
Other values (14)	90658	17.4%

site_2
Categorical

HIGH CORRELATION

Distinct	15
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Memory size	3.1 MiB

0.0	27394
hollow	11899
hollow,	6984
bridge,	1717
bridge	1639
Other values (10)	3159

Length

Max length	12
Median length	3
Mean length	4.585713745
Min length	3

Characters and Unicode

Total characters	242089
Distinct characters	18
Distinct categories	4 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	0 ?
Unique (%)	0.0%

Sample

1st row	0.0
2nd row	0.0
3rd row	0.0
4th row	0.0
5th row	0.0

Common Values

Value	Count	Frequency (%)
0.0	27394	51.9%
hollow	11899	22.5%
hollow,	6984	13.2%
bridge,	1717	3.3%
bridge	1639	3.1%
top,	1098	2.1%
top	1061	2.0%
hollow-tilt	355	0.7%
hollow-tilt,	210	0.4%
top-tilt,	127	0.2%
Other values (5)	308	0.6%

Length

Histogram of lengths of the category

Value	Count	Frequency (%)
0.0	27394	51.9%
hollow	18883	35.8%
bridge	3356	6.4%
top	2159	4.1%
hollow-tilt	565	1.1%
top-tilt	231	0.4%
bridge-tilt	119	0.2%
4fold	85	0.2%

Most occurring characters

Value	Count	Frequency (%)
0	54788	22.6%
o	41371	17.1%
l	39896	16.5%
.	27394	11.3%
h	19448	8.0%
w	19448	8.0%
,	10199	4.2%
i	4390	1.8%
t	4220	1.7%
d	3560	1.5%
Other values (8)	17375	7.2%

Most occurring categories

Value	Count	Frequency (%)
Lowercase Letter	148708	61.4%
Decimal Number	54873	22.7%
Other Punctuation	37593	15.5%
Dash Punctuation	915	0.4%

Most frequent character per category

Lowercase Letter

Value	Count	Frequency (%)
o	41371	27.8%
l	39896	26.8%
h	19448	13.1%
w	19448	13.1%
i	4390	3.0%
t	4220	2.8%
d	3560	2.4%
r	3475	2.3%
b	3475	2.3%
g	3475	2.3%
Other values (3)	5950	4.0%

Decimal Number

Value	Count	Frequency (%)
0	54788	99.8%
4	85	0.2%

Other Punctuation

Value	Count	Frequency (%)
.	27394	72.9%
,	10199	27.1%

Dash Punctuation

Value	Count	Frequency (%)
-	915	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Latin	148708	61.4%
Common	93381	38.6%

Most frequent character per script

Latin

Value	Count	Frequency (%)
o	41371	27.8%
l	39896	26.8%
h	19448	13.1%
w	19448	13.1%
i	4390	3.0%
t	4220	2.8%
d	3560	2.4%
r	3475	2.3%
b	3475	2.3%
g	3475	2.3%
Other values (3)	5950	4.0%

Common

Value	Count	Frequency (%)
0	54788	58.7%
.	27394	29.3%
,	10199	10.9%
-	915	1.0%
4	85	0.1%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	242089	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
0	54788	22.6%
o	41371	17.1%
l	39896	16.5%
.	27394	11.3%
h	19448	8.0%
w	19448	8.0%
,	10199	4.2%
i	4390	1.8%
t	4220	1.7%
d	3560	1.5%
Other values (8)	17375	7.2%

ads_2
Categorical

HIGH CORRELATION

Distinct	8
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Memory size	3.0 MiB

0.0	27394
H	11208
O	8479
S	3098
N	2212
Other values (3)	401

Length

Max length	3
Median length	3
Mean length	2.048871041
Min length	1

Characters and Unicode

Total characters	108164
Distinct characters	8
Distinct categories	3 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	0 ?
Unique (%)	0.0%

Sample

1st row	0.0
2nd row	0.0
3rd row	0.0
4th row	0.0
5th row	0.0

Common Values

Value	Count	Frequency (%)
0.0	27394	51.9%
H	11208	21.2%
O	8479	16.1%
S	3098	5.9%
N	2212	4.2%
CH	200	0.4%
CH2	183	0.3%
OH	18	< 0.1%

Length

Histogram of lengths of the category

Category Frequency Plot

Value	Count	Frequency (%)
0.0	27394	51.9%
h	11208	21.2%
o	8479	16.1%
s	3098	5.9%
n	2212	4.2%
ch	200	0.4%
ch2	183	0.3%
oh	18	< 0.1%

Most occurring characters

Value	Count	Frequency (%)
0	54788	50.7%
.	27394	25.3%
H	11609	10.7%
O	8497	7.9%
S	3098	2.9%
N	2212	2.0%
C	383	0.4%
2	183	0.2%

Most occurring categories

Value	Count	Frequency (%)
Decimal Number	54971	50.8%
Other Punctuation	27394	25.3%
Uppercase Letter	25799	23.9%

Most frequent character per category

Uppercase Letter

Value	Count	Frequency (%)
H	11609	45.0%
O	8497	32.9%
S	3098	12.0%
N	2212	8.6%
C	383	1.5%

Decimal Number

Value	Count	Frequency (%)
0	54788	99.7%
2	183	0.3%

Other Punctuation

Value	Count	Frequency (%)
.	27394	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Common	82365	76.1%
Latin	25799	23.9%

Most frequent character per script

Latin

Value	Count	Frequency (%)
H	11609	45.0%
O	8497	32.9%
S	3098	12.0%
N	2212	8.6%
C	383	1.5%

Common

Value	Count	Frequency (%)
0	54788	66.5%
.	27394	33.3%
2	183	0.2%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	108164	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
0	54788	50.7%
.	27394	25.3%
H	11609	10.7%
O	8497	7.9%
S	3098	2.9%
N	2212	2.0%
C	383	0.4%
2	183	0.2%

site_3
Categorical

HIGH CORRELATION

Distinct	8
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Memory size	3.0 MiB

0.0	42593
hollow	8286
bridge	955
top	587
hollow-tilt	239
Other values (3)	132

Length

Max length	11
Median length	3
Mean length	3.574708289
Min length	3

Characters and Unicode

Total characters	188716
Distinct characters	17
Distinct categories	4 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	0 ?
Unique (%)	0.0%

Sample

1st row	0.0
2nd row	0.0
3rd row	0.0
4th row	0.0
5th row	0.0

Common Values

Value	Count	Frequency (%)
0.0	42593	80.7%
hollow	8286	15.7%
bridge	955	1.8%
top	587	1.1%
hollow-tilt	239	0.5%
top-tilt	53	0.1%
bridge-tilt	47	0.1%
4fold	32	0.1%

Length

Histogram of lengths of the category

Category Frequency Plot

Value	Count	Frequency (%)
0.0	42593	80.7%
hollow	8286	15.7%
bridge	955	1.8%
top	587	1.1%
hollow-tilt	239	0.5%
top-tilt	53	0.1%
bridge-tilt	47	0.1%
4fold	32	0.1%

Most occurring characters

Value	Count	Frequency (%)
0	85186	45.1%
.	42593	22.6%
o	17722	9.4%
l	17421	9.2%
h	8525	4.5%
w	8525	4.5%
i	1341	0.7%
t	1318	0.7%
d	1034	0.5%
r	1002	0.5%
Other values (7)	4049	2.1%

Most occurring categories

Value	Count	Frequency (%)
Decimal Number	85218	45.2%
Lowercase Letter	60566	32.1%
Other Punctuation	42593	22.6%
Dash Punctuation	339	0.2%

Most frequent character per category

Lowercase Letter

Value	Count	Frequency (%)
o	17722	29.3%
l	17421	28.8%
h	8525	14.1%
w	8525	14.1%
i	1341	2.2%
t	1318	2.2%
d	1034	1.7%
r	1002	1.7%
b	1002	1.7%
g	1002	1.7%
Other values (3)	1674	2.8%

Decimal Number

Value	Count	Frequency (%)
0	85186	> 99.9%
4	32	< 0.1%

Other Punctuation

Value	Count	Frequency (%)
.	42593	100.0%

Dash Punctuation

Value	Count	Frequency (%)
-	339	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Common	128150	67.9%
Latin	60566	32.1%

Most frequent character per script

Latin

Value	Count	Frequency (%)
o	17722	29.3%
l	17421	28.8%
h	8525	14.1%
w	8525	14.1%
i	1341	2.2%
t	1318	2.2%
d	1034	1.7%
r	1002	1.7%
b	1002	1.7%
g	1002	1.7%
Other values (3)	1674	2.8%

Common

Value	Count	Frequency (%)
0	85186	66.5%
.	42593	33.2%
-	339	0.3%
4	32	< 0.1%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	188716	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
0	85186	45.1%
.	42593	22.6%
o	17722	9.4%
l	17421	9.2%
h	8525	4.5%
w	8525	4.5%
i	1341	0.7%
t	1318	0.7%
d	1034	0.5%
r	1002	0.5%
Other values (7)	4049	2.1%

ads_3
Categorical

HIGH CORRELATION

Distinct	11
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Memory size	3.0 MiB

0.0	42593
O	4485
S	3734
N	918
NH	218
Other values (6)	844

Length

Max length	3
Median length	3
Mean length	2.641328232
Min length	1

Characters and Unicode

Total characters	139441
Distinct characters	9
Distinct categories	3 ?
Distinct scripts	2 ?
Distinct blocks	1 ?

The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.

Unique

Unique	0 ?
Unique (%)	0.0%

Sample

1st row	0.0
2nd row	0.0
3rd row	0.0
4th row	0.0
5th row	0.0

Common Values

Value	Count	Frequency (%)
0.0	42593	80.7%
O	4485	8.5%
S	3734	7.1%
N	918	1.7%
NH	218	0.4%
SH	214	0.4%
CH	207	0.4%
CH2	200	0.4%
CH3	183	0.3%
OH	22	< 0.1%

Length

Histogram of lengths of the category

Value	Count	Frequency (%)
0.0	42593	80.7%
o	4485	8.5%
s	3734	7.1%
n	918	1.7%
nh	218	0.4%
sh	214	0.4%
ch	207	0.4%
ch2	200	0.4%
ch3	183	0.3%
oh	22	< 0.1%

Most occurring characters

Value	Count	Frequency (%)
0	85186	61.1%
.	42593	30.5%
O	4525	3.2%
S	3948	2.8%
N	1136	0.8%
H	1062	0.8%
C	590	0.4%
2	218	0.2%
3	183	0.1%

Most occurring categories

Value	Count	Frequency (%)
Decimal Number	85587	61.4%
Other Punctuation	42593	30.5%
Uppercase Letter	11261	8.1%

Most frequent character per category

Uppercase Letter

Value	Count	Frequency (%)
O	4525	40.2%
S	3948	35.1%
N	1136	10.1%
H	1062	9.4%
C	590	5.2%

Decimal Number

Value	Count	Frequency (%)
0	85186	99.5%
2	218	0.3%
3	183	0.2%

Other Punctuation

Value	Count	Frequency (%)
.	42593	100.0%

Most occurring scripts

Value	Count	Frequency (%)
Common	128180	91.9%
Latin	11261	8.1%

Most frequent character per script

Latin

Value	Count	Frequency (%)
O	4525	40.2%
S	3948	35.1%
N	1136	10.1%
H	1062	9.4%
C	590	5.2%

Common

Value	Count	Frequency (%)
0	85186	66.5%
.	42593	33.2%
2	218	0.2%
3	183	0.1%

Most occurring blocks

Value	Count	Frequency (%)
ASCII	139441	100.0%

Most frequent character per block

ASCII

Value	Count	Frequency (%)
0	85186	61.1%
.	42593	30.5%
O	4525	3.2%
S	3948	2.8%
N	1136	0.8%
H	1062	0.8%
C	590	0.4%
2	218	0.2%
3	183	0.1%

band_gap
Real number (ℝ_≥0)

ZEROS

Distinct	9
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	0.00299034134

Minimum	0
Maximum	0.9674
Zeros	52455
Zeros (%)	99.4%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	0
Q1	0
median	0
Q3	0
95-th percentile	0
Maximum	0.9674
Range	0.9674
Interquartile range (IQR)	0

Descriptive statistics

Standard deviation	0.0458905319
Coefficient of variation (CV)	15.34625205
Kurtosis	318.7609768
Mean	0.00299034134
Median Absolute Deviation (MAD)	0
Skewness	17.37941656
Sum	157.8661
Variance	0.002105940918
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=9)

Value	Count	Frequency (%)
0	52455	99.4%
0.7227	66	0.1%
0.9674	61	0.1%
0.1094	47	0.1%
0.0231	44	0.1%
0.575	41	0.1%
0.2465	39	0.1%
0.3019	32	0.1%
0.307	7	< 0.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	52455	99.4%
0.0231	44	0.1%
0.1094	47	0.1%
0.2465	39	0.1%
0.3019	32	0.1%
0.307	7	< 0.1%
0.575	41	0.1%
0.7227	66	0.1%
0.9674	61	0.1%

Value	Count	Frequency (%)
0.9674	61	0.1%
0.7227	66	0.1%
0.575	41	0.1%
0.307	7	< 0.1%
0.3019	32	0.1%
0.2465	39	0.1%
0.1094	47	0.1%
0.0231	44	0.1%
0	52455	99.4%

efermi
Real number (ℝ)

HIGH CORRELATION

Distinct	1088
Distinct (%)	2.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	6.237244742

Minimum	-9.80862143
Maximum	10.58671474
Zeros	0
Zeros (%)	0.0%
Negative	99
Negative (%)	0.2%
Memory size	412.6 KiB

Quantile statistics

Minimum	-9.80862143
5-th percentile	3.48601531
Q1	5.04334495
median	6.36227169
Q3	7.53498815
95-th percentile	8.78966032
Maximum	10.58671474
Range	20.39533617
Interquartile range (IQR)	2.4916432

Descriptive statistics

Standard deviation	1.783123461
Coefficient of variation (CV)	0.285883196
Kurtosis	10.97321376
Mean	6.237244742
Median Absolute Deviation (MAD)	1.24975897
Skewness	-1.436873164
Sum	329276.6244
Variance	3.179529277
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=50)

Value	Count	Frequency (%)
7.96891416	112	0.2%
5.44965698	111	0.2%
4.55391003	108	0.2%
3.13875955	108	0.2%
9.12996087	107	0.2%
3.73492099	107	0.2%
7.46216787	106	0.2%
4.22413457	105	0.2%
7.19441606	104	0.2%
8.47822675	104	0.2%
Other values (1078)	51720	98.0%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
-9.80862143	99	0.2%
0.08174203	7	< 0.1%
1.69875088	42	0.1%
1.90183137	43	0.1%
2.36681385	14	< 0.1%
2.46427192	38	0.1%
2.65508063	42	0.1%
2.74058872	28	0.1%
2.74943258	7	< 0.1%
2.83786708	46	0.1%

Value	Count	Frequency (%)
10.58671474	78	0.1%
10.1522771	77	0.1%
9.89564084	30	0.1%
9.83664444	58	0.1%
9.7847681	57	0.1%
9.71710215	62	0.1%
9.66588868	102	0.2%
9.61521942	66	0.1%
9.6066344	45	0.1%
9.56928969	41	0.1%

formation_energy_per_atom
Real number (ℝ)

HIGH CORRELATION
ZEROS

Distinct	1053
Distinct (%)	2.0%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	-0.1120311436

Minimum	-1.256620705
Maximum	2.412463175
Zeros	1824
Zeros (%)	3.5%
Negative	31872
Negative (%)	60.4%
Memory size	412.6 KiB

Quantile statistics

Minimum	-1.256620705
5-th percentile	-0.683686925
Q1	-0.2761814775
median	-0.05732447
Q3	0.05043035
95-th percentile	0.299289685
Maximum	2.412463175
Range	3.66908388
Interquartile range (IQR)	0.3266118275

Descriptive statistics

Standard deviation	0.321352609
Coefficient of variation (CV)	-2.868422106
Kurtosis	8.036684599
Mean	-0.1120311436
Median Absolute Deviation (MAD)	0.144063895
Skewness	0.5481367581
Sum	-5914.348135
Variance	0.1032674993
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=50)

Value	Count	Frequency (%)
0	1824	3.5%
0.084207955	112	0.2%
-0.0174476	111	0.2%
-0.079670265	108	0.2%
-0.0526618075	108	0.2%
-0.02748068	107	0.2%
0.0856875975	107	0.2%
0.06940541125	106	0.2%
-0.0686117975	105	0.2%
-0.0562460525	104	0.2%
Other values (1043)	50000	94.7%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
-1.256620705	43	0.1%
-1.227495742	47	0.1%
-1.182553082	39	0.1%
-1.146823208	44	0.1%
-1.10165163	49	0.1%
-1.089629488	40	0.1%
-1.08305548	42	0.1%
-1.058467823	39	0.1%
-1.047348483	36	0.1%
-1.043401777	46	0.1%

Value	Count	Frequency (%)
2.412463175	99	0.2%
1.448076925	46	0.1%
1.028605604	41	0.1%
0.9881656887	6	< 0.1%
0.9732106575	8	< 0.1%
0.9722966112	7	< 0.1%
0.9152983375	40	0.1%
0.8946772213	53	0.1%
0.8677804	49	0.1%
0.8610589425	11	< 0.1%

total_magnetization
Real number (ℝ_≥0)

Distinct	1068
Distinct (%)	2.0%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	0.3508462025

Minimum	0
Maximum	7.9663089
Zeros	39
Zeros (%)	0.1%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	7.325 × 10^-6
Q1	0.00012855
median	0.0014032
Q3	0.0208722
95-th percentile	2.5444076
Maximum	7.9663089
Range	7.9663089
Interquartile range (IQR)	0.02074365

Descriptive statistics

Standard deviation	1.045757477
Coefficient of variation (CV)	2.980672069
Kurtosis	17.92307511
Mean	0.3508462025
Median Absolute Deviation (MAD)	0.0013896
Skewness	4.00794108
Sum	18521.87273
Variance	1.0936087
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=50)

Value	Count	Frequency (%)
1.69 × 10^-5	178	0.3%
9.9 × 10^-6	170	0.3%
6 × 10^-7	149	0.3%
1 × 10^-6	140	0.3%
0.0001352	137	0.3%
3 × 10^-7	136	0.3%
2.88 × 10^-5	131	0.2%
5.4 × 10^-6	129	0.2%
0.7433976	112	0.2%
3.35 × 10^-5	111	0.2%
Other values (1058)	51399	97.4%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	39	0.1%
1 × 10^-7	61	0.1%
3 × 10^-7	136	0.3%
3.75 × 10^-7	40	0.1%
4 × 10^-7	83	0.2%
5 × 10^-7	49	0.1%
6 × 10^-7	149	0.3%
1 × 10^-6	140	0.3%
1.1 × 10^-6	46	0.1%
1.15 × 10^-6	45	0.1%

Value	Count	Frequency (%)
7.9663089	18	< 0.1%
7.7682589	18	< 0.1%
7.742422	2	< 0.1%
7.4058344	42	0.1%
7.239309	81	0.2%
6.9763071	74	0.1%
6.8925326	85	0.2%
6.73256735	41	0.1%
6.7244635	69	0.1%
5.6021079	80	0.2%

volume
Real number (ℝ_≥0)

HIGH CORRELATION

Distinct	1088
Distinct (%)	2.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	95.80752253

Minimum	11.45377624
Maximum	689.1733355
Zeros	0
Zeros (%)	0.0%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	11.45377624
5-th percentile	25.91939377
Q1	46.09223221
median	69.12311898
Q3	116.7809607
95-th percentile	249.7204977
Maximum	689.1733355
Range	677.7195593
Interquartile range (IQR)	70.68872845

Descriptive statistics

Standard deviation	82.5260848
Coefficient of variation (CV)	0.8613737483
Kurtosis	10.08973321
Mean	95.80752253
Median Absolute Deviation (MAD)	36.14041477
Skewness	2.73395935
Sum	5057870.729
Variance	6810.554672
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=50)

Value	Count	Frequency (%)
61.6885434	112	0.2%
66.59195207	111	0.2%
69.85166327	108	0.2%
69.22262914	108	0.2%
57.88226099	107	0.2%
132.6679323	107	0.2%
114.5216777	106	0.2%
58.3182262	105	0.2%
61.51741323	104	0.2%
28.29488068	104	0.2%
Other values (1078)	51720	98.0%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
11.45377624	39	0.1%
11.87188964	75	0.1%
13.39959396	60	0.1%
14.19892854	29	0.1%
14.55458679	30	0.1%
15.4903022	76	0.1%
15.72285576	29	0.1%
15.89162875	28	0.1%
16.1914384	65	0.1%
16.47172138	66	0.1%

Value	Count	Frequency (%)
689.1733355	40	0.1%
676.8834483	5	< 0.1%
587.8947087	99	0.2%
539.6574451	65	0.1%
524.7066463	51	0.1%
514.3035285	24	< 0.1%
508.2013055	45	0.1%
500.2845975	43	0.1%
481.3826255	26	< 0.1%
453.9684024	42	0.1%

energy_per_atom
Real number (ℝ)

Distinct	1088
Distinct (%)	2.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	-6.371581269

Minimum	-12.95812647
Maximum	-0.30362902
Zeros	0
Zeros (%)	0.0%
Negative	52792
Negative (%)	100.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	-12.95812647
5-th percentile	-10.7503485
Q1	-8.391521567
median	-6.11278359
Q3	-4.408225837
95-th percentile	-2.510389725
Maximum	-0.30362902
Range	12.65449745
Interquartile range (IQR)	3.98329573

Descriptive statistics

Standard deviation	2.594581331
Coefficient of variation (CV)	-0.4072115259
Kurtosis	-0.7372924102
Mean	-6.371581269
Median Absolute Deviation (MAD)	2.02842972
Skewness	-0.1936374477
Sum	-336368.5184
Variance	6.731852282
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=50)

Value	Count	Frequency (%)
-6.678580433	112	0.2%
-3.497660423	111	0.2%
-3.829203155	108	0.2%
-3.471180335	108	0.2%
-8.490930885	107	0.2%
-3.063510862	107	0.2%
-8.241310371	106	0.2%
-4.97577867	105	0.2%
-6.397875965	104	0.2%
-10.26032559	104	0.2%
Other values (1078)	51720	98.0%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
-12.95812647	65	0.1%
-12.81057653	59	0.1%
-12.77327586	36	0.1%
-12.47548865	36	0.1%
-12.44542572	59	0.1%
-12.44452719	27	0.1%
-12.3490102	45	0.1%
-12.22259119	35	0.1%
-12.19931374	50	0.1%
-12.17566958	55	0.1%

Value	Count	Frequency (%)
-0.30362902	7	< 0.1%
-0.422735485	42	0.1%
-0.4272710425	43	0.1%
-0.8229377875	28	0.1%
-0.8551045075	48	0.1%
-0.90620278	38	0.1%
-0.9110937513	45	0.1%
-0.9185445088	35	0.1%
-0.9197000362	14	< 0.1%
-0.9295330887	7	< 0.1%

ads_IE_1
Real number (ℝ_≥0)

HIGH CORRELATION

Distinct	12
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	12.46275486

Minimum	9.84
Maximum	14.53414
Zeros	0
Zeros (%)	0.0%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	9.84
5-th percentile	10.36001
Q1	11.2603
median	12.8
Q3	13.59844
95-th percentile	14.53414
Maximum	14.53414
Range	4.69414
Interquartile range (IQR)	2.33814

Descriptive statistics

Standard deviation	1.465710255
Coefficient of variation (CV)	0.1176072443
Kurtosis	-1.532507804
Mean	12.46275486
Median Absolute Deviation (MAD)	1.5397
Skewness	-0.07432118475
Sum	657933.7545
Variance	2.148306552
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=12)

Value	Count	Frequency (%)
11.2603	17034	32.3%
13.59844	12951	24.5%
14.53414	7135	13.5%
13.61806	5226	9.9%
10.36001	3465	6.6%
10.4219	1223	2.3%
12.8	1066	2.0%
10.64	1035	2.0%
12.65	1025	1.9%
10.396	1007	1.9%
Other values (2)	1625	3.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
9.84	864	1.6%
10.36001	3465	6.6%
10.396	1007	1.9%
10.4219	1223	2.3%
10.64	1035	2.0%
11.2603	17034	32.3%
12.65	1025	1.9%
12.8	1066	2.0%
13.017	761	1.4%
13.59844	12951	24.5%

Value	Count	Frequency (%)
14.53414	7135	13.5%
13.61806	5226	9.9%
13.59844	12951	24.5%
13.017	761	1.4%
12.8	1066	2.0%
12.65	1025	1.9%
11.2603	17034	32.3%
10.64	1035	2.0%
10.4219	1223	2.3%
10.396	1007	1.9%

ads_H_1
Real number (ℝ)

HIGH CORRELATION

Distinct	12
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	419.5694135

Minimum	-241.826
Maximum	716.68
Zeros	0
Zeros (%)	0.0%
Negative	1025
Negative (%)	1.9%
Memory size	412.6 KiB

Quantile statistics

Minimum	-241.826
5-th percentile	139.33
Q1	217.998
median	376.56
Q3	716.68
95-th percentile	716.68
Maximum	716.68
Range	958.506
Interquartile range (IQR)	498.682

Descriptive statistics

Standard deviation	239.419656
Coefficient of variation (CV)	0.5706318152
Kurtosis	-0.7776218387
Mean	419.5694135
Median Absolute Deviation (MAD)	158.562
Skewness	-0.09922912723
Sum	22149908.48
Variance	57321.7717
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=12)

Value	Count	Frequency (%)
716.68	17034	32.3%
217.998	12951	24.5%
472.68	7135	13.5%
249.18	5226	9.9%
277.17	3465	6.6%
139.33	1223	2.3%
376.56	1066	2.0%
594.13	1035	2.0%
-241.826	1025	1.9%
386.39	1007	1.9%
Other values (2)	1625	3.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
-241.826	1025	1.9%
38.99	761	1.4%
139.33	1223	2.3%
145.69	864	1.6%
217.998	12951	24.5%
249.18	5226	9.9%
277.17	3465	6.6%
376.56	1066	2.0%
386.39	1007	1.9%
472.68	7135	13.5%

Value	Count	Frequency (%)
716.68	17034	32.3%
594.13	1035	2.0%
472.68	7135	13.5%
386.39	1007	1.9%
376.56	1066	2.0%
277.17	3465	6.6%
249.18	5226	9.9%
217.998	12951	24.5%
145.69	864	1.6%
139.33	1223	2.3%

ads_S_1
Real number (ℝ_≥0)

HIGH CORRELATION

Distinct	12
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	151.8056464

Minimum	114.717
Maximum	195.63
Zeros	0
Zeros (%)	0.0%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	114.717
5-th percentile	114.717
Q1	153.301
median	158.1
Q3	161.059
95-th percentile	193.93
Maximum	195.63
Range	80.913
Interquartile range (IQR)	7.758

Descriptive statistics

Standard deviation	23.69644773
Coefficient of variation (CV)	0.1560972749
Kurtosis	-0.6108800616
Mean	151.8056464
Median Absolute Deviation (MAD)	4.799
Skewness	-0.3682416892
Sum	8014123.686
Variance	561.5216349
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=12)

Value	Count	Frequency (%)
158.1	17034	32.3%
114.717	12951	24.5%
153.301	7135	13.5%
161.059	5226	9.9%
167.829	3465	6.6%
195.63	1223	2.3%
181.25	1066	2.0%
183.04	1035	2.0%
188.835	1025	1.9%
193.93	1007	1.9%
Other values (2)	1625	3.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
114.717	12951	24.5%
153.301	7135	13.5%
158.1	17034	32.3%
161.059	5226	9.9%
167.829	3465	6.6%
181.25	1066	2.0%
183.04	1035	2.0%
183.71	761	1.4%
188.835	1025	1.9%
193.93	1007	1.9%

Value	Count	Frequency (%)
195.63	1223	2.3%
194.17	864	1.6%
193.93	1007	1.9%
188.835	1025	1.9%
183.71	761	1.4%
183.04	1035	2.0%
181.25	1066	2.0%
167.829	3465	6.6%
161.059	5226	9.9%
158.1	17034	32.3%

ads_IE_2
Real number (ℝ_≥0)

HIGH CORRELATION
ZEROS

Distinct	8
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	6.371958799

Minimum	0
Maximum	14.53414
Zeros	27394
Zeros (%)	51.9%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	0
Q1	0
median	0
Q3	13.59844
95-th percentile	13.61806
Maximum	14.53414
Range	14.53414
Interquartile range (IQR)	13.59844

Descriptive statistics

Standard deviation	6.667409876
Coefficient of variation (CV)	1.046367387
Kurtosis	-1.947077419
Mean	6.371958799
Median Absolute Deviation (MAD)	0
Skewness	0.1150764544
Sum	336388.4489
Variance	44.45435446
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=8)

Value	Count	Frequency (%)
0	27394	51.9%
13.59844	11208	21.2%
13.61806	8479	16.1%
10.36001	3098	5.9%
14.53414	2212	4.2%
10.64	200	0.4%
10.396	183	0.3%
13.017	18	< 0.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	27394	51.9%
10.36001	3098	5.9%
10.396	183	0.3%
10.64	200	0.4%
13.017	18	< 0.1%
13.59844	11208	21.2%
13.61806	8479	16.1%
14.53414	2212	4.2%

Value	Count	Frequency (%)
14.53414	2212	4.2%
13.61806	8479	16.1%
13.59844	11208	21.2%
13.017	18	< 0.1%
10.64	200	0.4%
10.396	183	0.3%
10.36001	3098	5.9%
0	27394	51.9%

ads_H_2
Real number (ℝ_≥0)

HIGH CORRELATION
ZEROS

Distinct	8
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	125.9773605

Minimum	0
Maximum	594.13
Zeros	27394
Zeros (%)	51.9%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	0
Q1	0
median	0
Q3	249.18
95-th percentile	277.17
Maximum	594.13
Range	594.13
Interquartile range (IQR)	249.18

Descriptive statistics

Standard deviation	141.1280957
Coefficient of variation (CV)	1.120265539
Kurtosis	-0.4363149311
Mean	125.9773605
Median Absolute Deviation (MAD)	0
Skewness	0.6500277594
Sum	6650596.814
Variance	19917.13939
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=8)

Value	Count	Frequency (%)
0	27394	51.9%
217.998	11208	21.2%
249.18	8479	16.1%
277.17	3098	5.9%
472.68	2212	4.2%
594.13	200	0.4%
386.39	183	0.3%
38.99	18	< 0.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	27394	51.9%
38.99	18	< 0.1%
217.998	11208	21.2%
249.18	8479	16.1%
277.17	3098	5.9%
386.39	183	0.3%
472.68	2212	4.2%
594.13	200	0.4%

Value	Count	Frequency (%)
594.13	200	0.4%
472.68	2212	4.2%
386.39	183	0.3%
277.17	3098	5.9%
249.18	8479	16.1%
217.998	11208	21.2%
38.99	18	< 0.1%
0	27394	51.9%

ads_S_2
Real number (ℝ_≥0)

HIGH CORRELATION
ZEROS

Distinct	8
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	67.92331075

Minimum	0
Maximum	193.93
Zeros	27394
Zeros (%)	51.9%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	0
Q1	0
median	0
Q3	153.301
95-th percentile	167.829
Maximum	193.93
Range	193.93
Interquartile range (IQR)	153.301

Descriptive statistics

Standard deviation	72.4784626
Coefficient of variation (CV)	1.06706316
Kurtosis	-1.774413381
Mean	67.92331075
Median Absolute Deviation (MAD)	0
Skewness	0.2278262607
Sum	3585807.421
Variance	5253.127541
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=8)

Value	Count	Frequency (%)
0	27394	51.9%
114.717	11208	21.2%
161.059	8479	16.1%
167.829	3098	5.9%
153.301	2212	4.2%
183.04	200	0.4%
193.93	183	0.3%
183.71	18	< 0.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	27394	51.9%
114.717	11208	21.2%
153.301	2212	4.2%
161.059	8479	16.1%
167.829	3098	5.9%
183.04	200	0.4%
183.71	18	< 0.1%
193.93	183	0.3%

Value	Count	Frequency (%)
193.93	183	0.3%
183.71	18	< 0.1%
183.04	200	0.4%
167.829	3098	5.9%
161.059	8479	16.1%
153.301	2212	4.2%
114.717	11208	21.2%
0	27394	51.9%

ads_IE_3
Real number (ℝ_≥0)

HIGH CORRELATION
ZEROS

Distinct	11
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	2.362493892

Minimum	0
Maximum	14.53414
Zeros	42593
Zeros (%)	80.7%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	0
Q1	0
median	0
Q3	0
95-th percentile	13.61806
Maximum	14.53414
Range	14.53414
Interquartile range (IQR)	0

Descriptive statistics

Standard deviation	4.885700869
Coefficient of variation (CV)	2.068026878
Kurtosis	0.8263594977
Mean	2.362493892
Median Absolute Deviation (MAD)	0
Skewness	1.641038067
Sum	124720.7776
Variance	23.87007298
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=11)

Value	Count	Frequency (%)
0	42593	80.7%
13.61806	4485	8.5%
10.36001	3734	7.1%
14.53414	918	1.7%
12.8	218	0.4%
10.4219	214	0.4%
10.64	207	0.4%
10.396	200	0.4%
9.84	183	0.3%
13.017	22	< 0.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	42593	80.7%
9.84	183	0.3%
10.36001	3734	7.1%
10.396	200	0.4%
10.4219	214	0.4%
10.64	207	0.4%
12.65	18	< 0.1%
12.8	218	0.4%
13.017	22	< 0.1%
13.61806	4485	8.5%

Value	Count	Frequency (%)
14.53414	918	1.7%
13.61806	4485	8.5%
13.017	22	< 0.1%
12.8	218	0.4%
12.65	18	< 0.1%
10.64	207	0.4%
10.4219	214	0.4%
10.396	200	0.4%
10.36001	3734	7.1%
9.84	183	0.3%

ads_H_3
Real number (ℝ)

HIGH CORRELATION
ZEROS

Distinct	11
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	55.34514911

Minimum	-241.826
Maximum	594.13
Zeros	42593
Zeros (%)	80.7%
Negative	18
Negative (%)	< 0.1%
Memory size	412.6 KiB

Quantile statistics

Minimum	-241.826
5-th percentile	0
Q1	0
median	0
Q3	0
95-th percentile	277.17
Maximum	594.13
Range	835.956
Interquartile range (IQR)	0

Descriptive statistics

Standard deviation	119.3278771
Coefficient of variation (CV)	2.156067496
Kurtosis	3.161902774
Mean	55.34514911
Median Absolute Deviation (MAD)	0
Skewness	2.002021356
Sum	2921781.112
Variance	14239.14225
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=11)

Value	Count	Frequency (%)
0	42593	80.7%
249.18	4485	8.5%
277.17	3734	7.1%
472.68	918	1.7%
376.56	218	0.4%
139.33	214	0.4%
594.13	207	0.4%
386.39	200	0.4%
145.69	183	0.3%
38.99	22	< 0.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
-241.826	18	< 0.1%
0	42593	80.7%
38.99	22	< 0.1%
139.33	214	0.4%
145.69	183	0.3%
249.18	4485	8.5%
277.17	3734	7.1%
376.56	218	0.4%
386.39	200	0.4%
472.68	918	1.7%

Value	Count	Frequency (%)
594.13	207	0.4%
472.68	918	1.7%
386.39	200	0.4%
376.56	218	0.4%
277.17	3734	7.1%
249.18	4485	8.5%
145.69	183	0.3%
139.33	214	0.4%
38.99	22	< 0.1%
0	42593	80.7%

ads_S_3
Real number (ℝ_≥0)

HIGH CORRELATION
ZEROS

Distinct	11
Distinct (%)	< 0.1%
Missing	0
Missing (%)	0.0%
Infinite	0
Infinite (%)	0.0%
Mean	32.0271969

Minimum	0
Maximum	195.63
Zeros	42593
Zeros (%)	80.7%
Negative	0
Negative (%)	0.0%
Memory size	412.6 KiB

Quantile statistics

Minimum	0
5-th percentile	0
Q1	0
median	0
Q3	0
95-th percentile	167.829
Maximum	195.63
Range	195.63
Interquartile range (IQR)	0

Descriptive statistics

Standard deviation	65.57860794
Coefficient of variation (CV)	2.047591244
Kurtosis	0.4949292328
Mean	32.0271969
Median Absolute Deviation (MAD)	0
Skewness	1.570027577
Sum	1690779.779
Variance	4300.553819
Monotonicity	Not monotonic

Histogram with fixed size bins (bins=11)

Value	Count	Frequency (%)
0	42593	80.7%
161.059	4485	8.5%
167.829	3734	7.1%
153.301	918	1.7%
181.25	218	0.4%
195.63	214	0.4%
183.04	207	0.4%
193.93	200	0.4%
194.17	183	0.3%
183.71	22	< 0.1%

Minimum 10 values
Maximum 10 values

Value	Count	Frequency (%)
0	42593	80.7%
153.301	918	1.7%
161.059	4485	8.5%
167.829	3734	7.1%
181.25	218	0.4%
183.04	207	0.4%
183.71	22	< 0.1%
188.835	18	< 0.1%
193.93	200	0.4%
194.17	183	0.3%

Value	Count	Frequency (%)
195.63	214	0.4%
194.17	183	0.3%
193.93	200	0.4%
188.835	18	< 0.1%
183.71	22	< 0.1%
183.04	207	0.4%
181.25	218	0.4%
167.829	3734	7.1%
161.059	4485	8.5%
153.301	918	1.7%

Spearman's ρ

The Spearman's rank correlation coefficient (ρ) is a measure of monotonic correlation between two variables, and is therefore better in catching nonlinear monotonic correlations than Pearson's r. It's value lies between -1 and +1, -1 indicating total negative monotonic correlation, 0 indicating no monotonic correlation and 1 indicating total positive monotonic correlation.

To calculate ρ for two variables X and Y, one divides the covariance of the rank variables of X and Y by the product of their standard deviations.

Pearson's r

The Pearson's correlation coefficient (r) is a measure of linear correlation between two variables. It's value lies between -1 and +1, -1 indicating total negative linear correlation, 0 indicating no linear correlation and 1 indicating total positive linear correlation. Furthermore, r is invariant under separate changes in location and scale of the two variables, implying that for a linear function the angle to the x-axis does not affect r.

To calculate r for two variables X and Y, one divides the covariance of X and Y by the product of their standard deviations.

Kendall's τ

Similarly to Spearman's rank correlation coefficient, the Kendall rank correlation coefficient (τ) measures ordinal association between two variables. It's value lies between -1 and +1, -1 indicating total negative correlation, 0 indicating no correlation and 1 indicating total positive correlation.

To calculate τ for two variables X and Y, one determines the number of concordant and discordant pairs of observations. τ is given by the number of concordant pairs minus the discordant pairs divided by the total number of pairs.

Cramér's V (φc)

Cramér's V is an association measure for nominal random variables. The coefficient ranges from 0 to 1, with 0 indicating independence and 1 indicating perfect association. The empirical estimators used for Cramér's V have been proved to be biased, even for large samples. We use a bias-corrected measure that has been proposed by Bergsma in 2013 that can be found here.

Phik (φk)

Phik (φk) is a new and practical correlation coefficient that works consistently between categorical, ordinal and interval variables, captures non-linear dependency and reverts to the Pearson correlation coefficient in case of a bivariate normal input distribution. There is extensive documentation available here.

Count
Matrix

A simple visualization of nullity by column.

Nullity matrix is a data-dense display which lets you quickly visually pick out patterns in data completion.

First rows

	df_index	surface_composition	coverages	equation	ads_1	site_1	efermi	total_magnetization	volume	energy_per_atom	ads_IE_1	ads_H_1	ads_S_1
0	0	Ag	{'CH2': 0.25}	CH4(g) -H2(g) + * -> CH2*	CH2	bridge\|A_A\|A	3.055604	0.008471	54.154777	-2.832529	10.3960	386.39	193.93
1	1	Ag	{'CH2': 0.25}	CH4(g) -H2(g) + * -> CH2*	CH2	hollow\|A_A_A\|FCC	3.055604	0.008471	54.154777	-2.832529	10.3960	386.39	193.93
2	2	Ag	{'CH2': 0.25}	CH4(g) -H2(g) + * -> CH2*	CH2	top\|A	3.055604	0.008471	54.154777	-2.832529	10.3960	386.39	193.93
3	3	Ag	{'CH3': 0.25}	CH4(g)-0.5H2(g) + * -> CH3*	CH3	bridge\|A_A\|A	3.055604	0.008471	54.154777	-2.832529	9.8400	145.69	194.17
4	4	Ag	{'CH3': 0.25}	CH4(g)-0.5H2(g) + * -> CH3*	CH3	hollow\|A_A_A\|FCC	3.055604	0.008471	54.154777	-2.832529	9.8400	145.69	194.17
5	5	Ag	{'CH3': 0.25}	CH4(g)-0.5H2(g) + * -> CH3*	CH3	hollow\|A_A_A\|HCP	3.055604	0.008471	54.154777	-2.832529	9.8400	145.69	194.17
6	6	Ag	{'CH3': 0.25}	CH4(g)-0.5H2(g) + * -> CH3*	CH3	top\|A	3.055604	0.008471	54.154777	-2.832529	9.8400	145.69	194.17
7	7	Ag	{'CH': 0.25}	CH4(g)-1.5H2(g) + * -> CH*	CH	hollow\|A_A_A\|FCC	3.055604	0.008471	54.154777	-2.832529	10.6400	594.13	183.04
8	8	Ag	{'CH': 0.25}	CH4(g)-1.5H2(g) + * -> CH*	CH	hollow\|A_A_A\|HCP	3.055604	0.008471	54.154777	-2.832529	10.6400	594.13	183.04
9	9	Ag	{'C': 0.25}	CH4(g)-2.0H2(g) + * -> C*	C	hollow\|A_A_A\|FCC	3.055604	0.008471	54.154777	-2.832529	11.2603	716.68	158.10

Last rows

	df_index	surface_composition	coverages	equation	ads_1	site_1	efermi	formation_energy_per_atom	total_magnetization	volume	energy_per_atom	ads_IE_1	ads_H_1	ads_S_1
52782	88568	Zr3Co	{'N': 0.25}	0.5N2(g) + * -> N*	N	hollow\|A_A_A\|FCC	4.345283	-0.210712	0.000084	159.739082	-8.398567	14.53414	472.680	153.301
52783	88569	Zn3Co	{'H': 0.25}	0.5H2(g) + * -> H*	H	hollow-tilt\|A_A_B\|FCC	3.896215	-0.055038	0.424996	52.052715	-2.776713	13.59844	217.998	114.717
52784	88574	Bi3Zn	{'OH': 0.25}	H2O(g)-0.5H2(g) + * -> OH*	OH	hollow\|A_A_A\|HCP	5.647995	0.174797	0.003040	116.150744	-3.054881	13.01700	38.990	183.710
52785	88575	Bi3Zn	{'OH': 0.25}	H2O(g)-0.5H2(g) + * -> OH*	OH	bridge-tilt\|A_A\|A	5.647995	0.174797	0.003040	116.150744	-3.054881	13.01700	38.990	183.710
52786	88576	Bi3Zn	{'OH': 0.25}	H2O(g)-0.5H2(g) + * -> OH*	OH	hollow\|A_A_A\|FCC	5.647995	0.174797	0.003040	116.150744	-3.054881	13.01700	38.990	183.710
52787	88577	Bi3Zn	{'OH': 0.25}	H2O(g)-0.5H2(g) + * -> OH*	OH	hollow-tilt\|A_A_B\|HCP	5.647995	0.174797	0.003040	116.150744	-3.054881	13.01700	38.990	183.710
52788	88578	Bi3Zn	{'OH': 0.25}	H2O(g)-0.5H2(g) + * -> OH*	OH	top-tilt\|A	5.647995	0.174797	0.003040	116.150744	-3.054881	13.01700	38.990	183.710
52789	88579	Bi3Zn	{'OH': 0.25}	H2O(g)-0.5H2(g) + * -> OH*	OH	top-tilt\|B	5.647995	0.174797	0.003040	116.150744	-3.054881	13.01700	38.990	183.710
52790	88585	BiCr	{'O': 0.25}	H2O(g) -H2(g) + * -> O*	O	bridge\|A_A\|B	5.247364	0.607645	3.750857	202.654994	-6.162087	13.61806	249.180	161.059
52791	88586	BiCr	{'O': 0.25}	H2O(g) -H2(g) + * -> O*	O	bridge\|B_B\|A	5.247364	0.607645	3.750857	202.654994	-6.162087	13.61806	249.180	161.059

Overview

Variables

Common Values

Length

Most occurring characters

Most occurring categories

Most frequent character per category

Uppercase Letter

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Decimal Number

Most occurring scripts

Most frequent character per script

Latin

Common

Most occurring blocks

Most frequent character per block

ASCII

Common Values

Length

Most occurring characters

Most occurring categories

Most frequent character per category

Uppercase Letter

Other Punctuation

Decimal Number

Space Separator

Open Punctuation

Close Punctuation

Most occurring scripts

Most frequent character per script

Common

Latin

Most occurring blocks

Most frequent character per block

ASCII

Common Values

Length

Most occurring characters

Most occurring categories

Most frequent character per category

Decimal Number

Uppercase Letter

Other Punctuation

Math Symbol

Space Separator

Open Punctuation

Lowercase Letter

Close Punctuation

Dash Punctuation

Most occurring scripts

Most frequent character per script

Common

Latin

Most occurring blocks

Most frequent character per block

ASCII

Common Values

Length

Most occurring characters

Most occurring categories

Most frequent character per category

Uppercase Letter

Decimal Number

Most occurring scripts

Most frequent character per script

Latin

Common

Most occurring blocks

Most frequent character per block

ASCII

Common Values

Length

Most occurring characters

Most occurring categories

Most frequent character per category

Lowercase Letter

Uppercase Letter

Math Symbol

Connector Punctuation

Other Punctuation